1-but-3-enyl-2-(2-methoxyphenyl)piperazine;hydrochloride

C15H23ClN2O — CID 120753931

IUPAC1-but-3-enyl-2-(2-methoxyphenyl)piperazine;hydrochloride
SMILESC=CCCN1CCNCC1c1ccccc1OC.Cl
InChIInChI=1S/C15H22N2O.ClH/c1-3-4-10-17-11-9-16-12-14(17)13-7-5-6-8-15(13)18-2;/h3,5-8,14,16H,1,4,9-12H2,2H3;1H
InChIKeyHGPRSGBOHIZKDG-UHFFFAOYSA-N
MW282.82 g/mol
LogP2.64
Rot. Bonds5

About 1-but-3-enyl-2-(2-methoxyphenyl)piperazine;hydrochloride

1-but-3-enyl-2-(2-methoxyphenyl)piperazine;hydrochloride (PubChem CID 120753931) has the molecular formula C15H23ClN2O and a molecular weight of 282.82 g/mol. Its IUPAC name is 1-but-3-enyl-2-(2-methoxyphenyl)piperazine;hydrochloride.

Molecular Properties

Compound Name1-but-3-enyl-2-(2-methoxyphenyl)piperazine;hydrochloride
PubChem CID120753931
Molecular FormulaC15H23ClN2O
Molecular Weight282.82 g/mol
Exact Mass282.15
IUPAC Name1-but-3-enyl-2-(2-methoxyphenyl)piperazine;hydrochloride
SMILESC=CCCN1CCNCC1c1ccccc1OC.Cl
InChIInChI=1S/C15H22N2O.ClH/c1-3-4-10-17-11-9-16-12-14(17)13-7-5-6-8-15(13)18-2;/h3,5-8,14,16H,1,4,9-12H2,2H3;1H
InChIKeyHGPRSGBOHIZKDG-UHFFFAOYSA-N
XLogP2.64
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.82
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-(2-methoxyethyl)-2-(2-methoxyphenyl)piperazine;hydrochloride
CID 120753905
1-[2-(2-methoxyphenoxy)ethyl]-2-(2-methoxyphenyl)piperazine;hydrochloride
CID 120753829
2-(2-methoxyphenyl)-1-(2-propan-2-ylsulfonylethyl)piperazine;hydrochloride
CID 120753314
2-(2-methoxyphenyl)-1-[(3-methoxy-4-prop-2-enoxyphenyl)methyl]piperazine
CID 120767579
2-(2-methoxyphenyl)-1-[(1-methylimidazol-2-yl)methyl]piperazine;hydrochloride
CID 120767521
2-(2-methoxyphenyl)-1-(1H-pyrazol-5-ylmethyl)piperazine;hydrochloride
CID 120767431
1-[(2,4-difluorophenyl)methyl]-2-(2-methoxyphenyl)piperazine;hydrochloride
CID 120753939
1-[2-(2-methoxyphenyl)piperazin-1-yl]-2-prop-2-enylpent-4-en-1-one;hydrochloride
CID 120734201
2-(2-methoxyphenyl)-1-(oxan-4-ylmethyl)piperazine
CID 120753297
2-[2-[2-(2-methoxyphenyl)piperazin-1-yl]ethyl]-1-methylbenzimidazole
CID 120753952
5-[2-[2-(2-methoxyphenyl)piperazin-1-yl]ethyl]-3-phenyl-1,2,4-oxadiazole;hydrochloride
CID 120753588
1-[[2-(difluoromethoxy)phenyl]methyl]-2-(2-methoxyphenyl)piperazine
CID 120753405

Frequently Asked Questions

What is the IUPAC name of 1-but-3-enyl-2-(2-methoxyphenyl)piperazine;hydrochloride?
The IUPAC name of 1-but-3-enyl-2-(2-methoxyphenyl)piperazine;hydrochloride (CID 120753931) is 1-but-3-enyl-2-(2-methoxyphenyl)piperazine;hydrochloride.
What is the SMILES notation for 1-but-3-enyl-2-(2-methoxyphenyl)piperazine;hydrochloride?
The canonical SMILES for 1-but-3-enyl-2-(2-methoxyphenyl)piperazine;hydrochloride is C=CCCN1CCNCC1c1ccccc1OC.Cl.
What is the InChIKey of 1-but-3-enyl-2-(2-methoxyphenyl)piperazine;hydrochloride?
The InChIKey is HGPRSGBOHIZKDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O.ClH/c1-3-4-10-17-11-9-16-12-14(17)13-7-5-6-8-15(13)18-2;/h3,5-8,14,16H,1,4,9-12H2,2H3;1H.
What are the key properties of 1-but-3-enyl-2-(2-methoxyphenyl)piperazine;hydrochloride?
1-but-3-enyl-2-(2-methoxyphenyl)piperazine;hydrochloride has a molecular weight of 282.82 g/mol, XLogP of 2.64, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-but-3-enyl-2-(2-methoxyphenyl)piperazine;hydrochloride is sourced from PubChem (CID 120753931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).